Table 2.

Normalized relative abundances of $\mathrm{MOH}{\left({\mathrm{H}}_2\mathrm{O}\right)}_{\mathrm{x}}^{+}$, M = Mg,Ca, x = 0 – 2, formed by ECD of $\mathrm{M}{\left({\mathrm{H}}_2\mathrm{O}\right)}_n^{2+}$, n = 4 – 6, with estimated average (E_avg), maximum observed (E_MO), and maximum possible (E_UL) internal energy depositions (eV) obtained from ligand dissociation energies from A) B3LYP/6-311++G** and B) MP2/6-31G** [50] calculations (Table 1)

						Internal Energy Deposition (eV)
						A			B
M	n	x = 2	x = 1	x = 0	Eavg	EMO	EUL	Eavg	EMO	EUL
Mg	4	---	0.84	0.16	4.16	5.99	---	4.46	6.40	---
	5	0.11	0.89	---	4.01	4.19	6.37	4.61	4.80	7.12
	6	0.71	0.29	---	4.08	5.23	7.41	4.17	5.45	7.76
Ca	4	---	0.24	0.76	3.98	4.29	---	---	---	---
	5	---	0.73	0.27	4.04	4.98	---	---	---	---
	6	0.31	0.69	---	4.10	4.46	5.76	---	---	---